1,4a-dimethyl-6-oxo-5-(5-oxo-2-propan-2-yloxolan-2-yl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
| Internal ID | ae3bb017-d95b-4250-aa9e-547d25823462 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 1,4a-dimethyl-6-oxo-5-(5-oxo-2-propan-2-yloxolan-2-yl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde |
| SMILES (Canonical) | CC(C)C1(CCC(=O)O1)C2C(=O)CCC3C2(CCCC3(C)C=O)C |
| SMILES (Isomeric) | CC(C)C1(CCC(=O)O1)C2C(=O)CCC3C2(CCCC3(C)C=O)C |
| InChI | InChI=1S/C20H30O4/c1-13(2)20(11-8-16(23)24-20)17-14(22)6-7-15-18(3,12-21)9-5-10-19(15,17)4/h12-13,15,17H,5-11H2,1-4H3 |
| InChI Key | QMBXKSMIBPTQGN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.83% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.10% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.87% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.37% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.09% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.63% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.65% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.57% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.20% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.81% | 95.89% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.43% | 98.10% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.38% | 93.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.89% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.57% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.65% | 99.23% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.17% | 92.97% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Bupleurum salicifolium |
| Juniperus chinensis |
| Thuja occidentalis |
| PubChem | 73195955 |
| LOTUS | LTS0157348 |
| wikiData | Q105331215 |